[2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate
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![[2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/982916f04034430dae8c1698cf632c70.png "[2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate")
[2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate
structure -
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CAS No:
153322-44-2
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Formula:
C36H54O8S2
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Chemical Name:
[2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate
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Synonyms:
toxiusol;Toxiusol A;Toxiusol;149764-34-1;CHEMBL1207868;DTXSID10332405;[2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxy-phenyl] hydrogen sulfate;1,4-Benzenediol, 2-[[(1R,2R,5S,8aS)-1,2,3,5,6,7,8,8a-octahydro-1,2,5-trimethyl-5-[2-[(1R,2S,4aR)-1,2,3,4,4a,5,6,7-octahydro-1,2,5,5-tetramethyl-1-naphthalenyl]ethyl]-1-naphthalenyl]methyl]-, bis(hydrogen sulfate)
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CAS No:
[2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate Basic Attributes
678.9 g/mol
678.32601102 g/mol
DTXSID10332405
Computed Properties
Molecular Weight:678.9
XLogP3:9.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:678.32601102
Monoisotopic Mass:678.32601102
Topological Polar Surface Area:144
Heavy Atom Count:46
Complexity:1410
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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